2-Propenoic acid, 2-isocyanatoethyl ester

Adsorption / desorption

Administrative data

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Study initiation date: 1st November 2005, Study completion date: 27th March 2006

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: GLP study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2008

Report date:

2008

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))

GLP compliance:

yes (incl. QA statement)

Remarks:

from MHRA (UK GLP Monitoring authority)

Type of method:

HPLC estimation method

Media:

soil

Test material

Test material information

Constituent 1

Reference substance name:

-

EC Number:

482-140-6

EC Name:

-

Cas Number:

13641-96-8

Molecular formula:

Hill formula: C6 H7 N O3 CAS formula: C6 H7 N O3

IUPAC Name:

2-isocyanatoethyl prop-2-enoate

Study design

HPLC method

Details on study design: HPLC method:

EQUIPMENT
- Apparatus: Hewlett Packard 1050 Series Liquid Chromatograph
- Type, material and dimension of analytical (guard) column: Hypersil CPS (25 cm x 4.6 mm internal diameter)
- Detection system: UV at 210 nm

MOBILE PHASES
- Type: Acetonitrile:water (55:45 v/v)
- Flow rate: 1.0 ml/min
- Injection volume: 20 Dl

REFERENCE SUBSTANCES
- Identity:
Internal deadtime standard (I.D.S.)
Acetanilide
Nitrobenzene
Naphthalene
2-Methylnaphthalene
Anthracene
DDT

Results and discussion

Adsorption coefficient

Type:

Koc

Value:

2

Temp.:

30 °C

Any other information on results incl. tables

HPLC determination of log10Koc for AOI:

Sample	Component	tr(minutes)	k	log10k	log10Koc
Standard Run A (t0= 2.948 minutes)	Acetanilide	3.394	0.151	-0.820	1.3
	Nitrobenzene	4.023	0.365	-0.438	2.4
	Naphthalene	4.587	0.556	-0.255	2.8
	2-Methylnaphthalene	4.824	0.636	-0.196	3.9
	Anthracene	5.307	0.800	-0.097	4.4
	DDT	7.539	1.557	0.192	5.6
Sample A (t0= 2.952 minutes)	AOI	3.732	0.264	-0.578	2.0
Sample B (t0= 2.951 minutes)	AOI	3.729	0.264	-0.579	2.0
Standard Run B (t0= 2.949 minutes)	Acetanilide	3.393	0.151	-0.822	1.3
	Nitrobenzene	4.017	0.362	-0.441	2.4
	Naphthalene	4.578	0.552	-0.258	2.8
	2-Methylnaphthalene	4.813	0.632	-0.199	3.9
	Anthracene	5.293	0.795	-0.100	4.4
	DDT	7.509	1.546	0.189	5.6

A log10Koc value for AOI of 2.0 was thus obtained. Due to the known rapid hydrolysis of the test substance, the test samples were injected in acetonitrile rather than aqueous mobile phase to minimise degradation. The AOI peak at 3.7 minutes was noted to decrease in size, with coincident increase in size of the earlier eluting degradate peaks between 3.0 and 3.4, when a solution was prepared and analysed in mobile phase.

CONCLUSION

AOI was found to have log10Koc value of 2.0.